1-(hydroxymethyl)-N-(4-methoxyphenyl)-N-methylcyclobutane-1-carboxamide

C14H19NO3 — CID 115183985

IUPAC1-(hydroxymethyl)-N-(4-methoxyphenyl)-N-methylcyclobutane-1-carboxamide
SMILESCOc1ccc(N(C)C(=O)C2(CO)CCC2)cc1
InChIInChI=1S/C14H19NO3/c1-15(11-4-6-12(18-2)7-5-11)13(17)14(10-16)8-3-9-14/h4-7,16H,3,8-10H2,1-2H3
InChIKeyDPXJPKUBZLFKNR-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.82
Rot. Bonds4

About 1-(hydroxymethyl)-N-(4-methoxyphenyl)-N-methylcyclobutane-1-carboxamide

1-(hydroxymethyl)-N-(4-methoxyphenyl)-N-methylcyclobutane-1-carboxamide (PubChem CID 115183985) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(hydroxymethyl)-N-(4-methoxyphenyl)-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(hydroxymethyl)-N-(4-methoxyphenyl)-N-methylcyclobutane-1-carboxamide
PubChem CID115183985
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-(hydroxymethyl)-N-(4-methoxyphenyl)-N-methylcyclobutane-1-carboxamide
SMILESCOc1ccc(N(C)C(=O)C2(CO)CCC2)cc1
InChIInChI=1S/C14H19NO3/c1-15(11-4-6-12(18-2)7-5-11)13(17)14(10-16)8-3-9-14/h4-7,16H,3,8-10H2,1-2H3
InChIKeyDPXJPKUBZLFKNR-UHFFFAOYSA-N
XLogP1.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(hydroxymethyl)-N-methyl-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide
CID 115183979
N-(3-fluoro-4-methoxyphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
CID 115183989
(4-methoxyphenyl)-methylcarbamic acid
CID 22047987
4-[[1-(aminomethyl)cyclobutanecarbonyl]-methylamino]benzoic acid
CID 104698752
[1-[(4-methoxy-N-methylanilino)methyl]cyclobutyl]methanol
CID 115246801
N-(3-methoxyphenyl)-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183686
(2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone
CID 116921918
N-(2,5-dimethylphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
CID 115183981
1-(hydroxymethyl)-N-methyl-N-thiophen-2-ylcyclobutane-1-carboxamide
CID 115183976
3-[3-[(4-methoxyphenyl)-methylcarbamoyl]-1-adamantyl]adamantane-1-carboxylic acid
CID 58493896
2-chloro-N-(4-methoxyphenyl)-N-methylacetamide
CID 4714233
4-carbamothioyl-N-(4-methoxyphenyl)-N-methyloxane-4-carboxamide
CID 62003963

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-N-(4-methoxyphenyl)-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-(hydroxymethyl)-N-(4-methoxyphenyl)-N-methylcyclobutane-1-carboxamide (CID 115183985) is 1-(hydroxymethyl)-N-(4-methoxyphenyl)-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(hydroxymethyl)-N-(4-methoxyphenyl)-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(hydroxymethyl)-N-(4-methoxyphenyl)-N-methylcyclobutane-1-carboxamide is COc1ccc(N(C)C(=O)C2(CO)CCC2)cc1.
What is the InChIKey of 1-(hydroxymethyl)-N-(4-methoxyphenyl)-N-methylcyclobutane-1-carboxamide?
The InChIKey is DPXJPKUBZLFKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-15(11-4-6-12(18-2)7-5-11)13(17)14(10-16)8-3-9-14/h4-7,16H,3,8-10H2,1-2H3.
What are the key properties of 1-(hydroxymethyl)-N-(4-methoxyphenyl)-N-methylcyclobutane-1-carboxamide?
1-(hydroxymethyl)-N-(4-methoxyphenyl)-N-methylcyclobutane-1-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-N-(4-methoxyphenyl)-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 115183985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).